N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide

C23H26N4O3 — CID 1308958

IUPACN-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C23H26N4O3/c1-3-6-21(28)24-19-15-16(9-10-20(19)27-11-13-30-14-12-27)22-17-7-4-5-8-18(17)23(29)26(2)25-22/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,28)
InChIKeyBDTVDIQAIFPRKL-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.18
Rot. Bonds5

About N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide

N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide (PubChem CID 1308958) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide.

Molecular Properties

Compound NameN-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide
PubChem CID1308958
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C23H26N4O3/c1-3-6-21(28)24-19-15-16(9-10-20(19)27-11-13-30-14-12-27)22-17-7-4-5-8-18(17)23(29)26(2)25-22/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,28)
InChIKeyBDTVDIQAIFPRKL-UHFFFAOYSA-N
XLogP3.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide?
The IUPAC name of N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide (CID 1308958) is N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide.
What is the SMILES notation for N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide?
The canonical SMILES for N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide is CCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCOCC1.
What is the InChIKey of N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide?
The InChIKey is BDTVDIQAIFPRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-6-21(28)24-19-15-16(9-10-20(19)27-11-13-30-14-12-27)22-17-7-4-5-8-18(17)23(29)26(2)25-22/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,28).
What are the key properties of N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide?
N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide has a molecular weight of 406.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide is sourced from PubChem (CID 1308958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).